SCHEMBL3477968

SCHEMBL3477968

O=Cc1ccc(-n2cccc2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.61
▸ ALDH1A1 P00352 9/20 0.61
▸ ALDH1A3 P47895 1/20 0.61
▸ ALDH5A1 P51649 1/20 0.54
▸ ABAT P80404 1/20 0.54
▸ VCAM1 P19320 1/20 0.54
▸ GRIK1 P39086 1/20 0.48
▸ GRIA1 P42261 1/20 0.48
▸ GRIA2 P42262 1/20 0.48
▸ GRIA3 P42263 1/20 0.48
▸ GRIA4 P48058 1/20 0.48
▸ GRIK2 Q13002 1/20 0.48
▸ GRIK3 Q13003 1/20 0.48
▸ GRIK4 Q16099 1/20 0.48
▸ GRIK5 Q16478 1/20 0.48
▸ ALDH3A1 P30838 2/20 0.47
▸ LMNA P02545 5/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6677996 0.78 GAA (0.57) MAPTALDH1A1GRIK1GRIA1GRIA2
SCHEMBL29444848 0.77 GRIK1 (0.49) MAPTALDH1A1GRIK1GRIA1GRIA2
SCHEMBL1320968 0.77 GRIK1 (0.49) MAPTALDH1A1GRIK1GRIA1GRIA2
SCHEMBL9044798 0.77 TSHR (0.56) MAPTALDH1A1GRIK1GRIA1GRIA2
SCHEMBL20816305 0.77 TDP1 (0.50) MAPTALDH1A1GRIK1GRIA1GRIA2
SCHEMBL11824811 0.77 MAPK1 (0.59) MAPTALDH1A1VCAM1GRIK1GRIA1
SCHEMBL30657601 0.77 ESR1 (0.59) MAPTALDH1A1GRIK1GRIA1GRIA2
SCHEMBL6563795 0.77 ESR1 (0.59) MAPTALDH1A1GRIK1GRIA1GRIA2
SCHEMBL29126960 0.77 GRIK1 (0.50) MAPTALDH1A1GRIK1GRIA1GRIA2
SCHEMBL29721807 0.77 TSHR (0.56) MAPTALDH1A1GRIK1GRIA1GRIA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 — — US disclosed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 — — WO disclosed
CN-100482651-C Diaminothiazoles HOFFMANN LA ROCHE (CH) 2009-04-29 — — CN disclosed
CN-1487927-A Diaminothiazoles - 2004-04-07 — — CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines HCN2, RAC2, HCN1 MAPT 3456/4885ALDH1A1 1225/4885ALDH1A3 2396/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback